8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline

C40H26N6 — CID 129265610

IUPAC8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6cccnc56)cn4)cc3)n2)cc1
InChIInChI=1S/C40H26N6/c1-2-8-30(9-3-1)38-44-39(31-18-14-27(15-19-31)35-13-4-5-24-41-35)46-40(45-38)32-20-16-28(17-21-32)36-23-22-33(26-43-36)34-12-6-10-29-11-7-25-42-37(29)34/h1-26H
InChIKeyMANJMJFFSFTMNY-UHFFFAOYSA-N
MW590.69 g/mol
LogP9.21
Rot. Bonds6

About 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline

8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline (PubChem CID 129265610) has the molecular formula C40H26N6 and a molecular weight of 590.69 g/mol. Its IUPAC name is 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline
PubChem CID129265610
Molecular FormulaC40H26N6
Molecular Weight590.69 g/mol
Exact Mass590.22
IUPAC Name8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6cccnc56)cn4)cc3)n2)cc1
InChIInChI=1S/C40H26N6/c1-2-8-30(9-3-1)38-44-39(31-18-14-27(15-19-31)35-13-4-5-24-41-35)46-40(45-38)32-20-16-28(17-21-32)36-23-22-33(26-43-36)34-12-6-10-29-11-7-25-42-37(29)34/h1-26H
InChIKeyMANJMJFFSFTMNY-UHFFFAOYSA-N
XLogP9.21
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline?
The IUPAC name of 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline (CID 129265610) is 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline?
The canonical SMILES for 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6cccnc56)cn4)cc3)n2)cc1.
What is the InChIKey of 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline?
The InChIKey is MANJMJFFSFTMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N6/c1-2-8-30(9-3-1)38-44-39(31-18-14-27(15-19-31)35-13-4-5-24-41-35)46-40(45-38)32-20-16-28(17-21-32)36-23-22-33(26-43-36)34-12-6-10-29-11-7-25-42-37(29)34/h1-26H.
What are the key properties of 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline?
8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline has a molecular weight of 590.69 g/mol, XLogP of 9.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 129265610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).